Chemical Component Summary

NamePROTOPORPHYRIN IX CONTAINING FE
SynonymsHEME
Identifiers3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
FormulaC34 H32 Fe N4 O4
Molecular Weight616.487
TypeNON-POLYMER
Isomeric SMILESCc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count0
Bond Count82
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB18267 
NameFerroheme
Groups investigational
Synonyms
  • Ferroheme
  • PROTOHEME
  • HEME IRON
  • Heme
  • HEME B
Categories
  • Biological Factors
  • Heme
  • Heterocyclic Compounds, Fused-Ring
  • Metalloporphyrins
  • Pigments, Biological
CAS number14875-96-8